TIMP: an R package for modeling multi-way spectroscopic measurements. TIMP is an R package for modeling multiway spectroscopic measurements. The package allows for the simultaneous analysis of datasets collected under different experimental conditions in terms of a wide variety of parametric models. Models arising in spectroscopy data analysis often have some parameters that are intrinstically nonlinear, and some parameters that are conditionally linear on estimates of the nonlinear parameters. TIMP fits such separable nonlinear models using partitioned variable projection, a variant of the variable projection algorithm that is described here for the first time. The of the partitioned variable projection algorithm allows fitting many models for spectroscopy datasets using much less memory as compared to under the standard variable projection algorithm that is implemented in nonlinear optimization routines (e.g., the plinear option of the R function nls), as is shown here. An overview of modeling with TIMP is also given that includes several case studies in the application of the package.
Keywords for this software
References in zbMATH (referenced in 9 articles , 1 standard article )
Showing results 1 to 9 of 9.
- Dattner, Itai; Ship, Harold; Voit, Eberhard O.: Separable nonlinear least-squares parameter estimation for complex dynamic systems (2020)
- O’Leary, Dianne P.; Rust, Bert W.: Variable projection for nonlinear least squares problems (2013)
- Joris Snellenburg; Sergey Laptenok; Ralf Seger; Katharine Mullen; Ivo van Stokkum: Glotaran: A Java-Based Graphical User Interface for the R Package TIMP (2012) not zbMATH
- Mullen, Katharine M.; Stokkum, Ivo H. M.van: The variable projection algorithm in time-resolved spectroscopy, microscopy and mass spectrometry applications (2009)
- Ignacio González; Sébastien Déjean; Pascal Martin; Alain Baccini: CCA: An R Package to Extend Canonical Correlation Analysis (2008) not zbMATH
- J. Brown; Milton Harvey: Rational Arithmetic Mathematica Functions to Evaluate the Two-Sided One Sample K-S Cumulative Sampling Distribution (2008) not zbMATH
- Katharine Mullen and Ivo van Stokkum: An Introduction to the ”Special Volume Spectroscopy and Chemometrics in R” (2007) not zbMATH
- Katharine Mullen; Ivo van Stokkum: TIMP: An R Package for Modeling Multi-way Spectroscopic Measurements (2007) not zbMATH
- Sergey Laptenok; Katharine Mullen; Jan Borst; Ivo van Stokkum; Vladimir Apanasovich; Antonie Visser: Fluorescence Lifetime Imaging Microscopy (FLIM) Data Analysis with TIMP (2007) not zbMATH